N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
Formula:C16H12N3O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide |
| MolecularFormula | C16H12N3O2Cl2F |
| Smiles | O=C(CNC(c1cc(F)ccc1)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H12Cl2FN3O2/c17-12-5-4-11(14(18)7-12)8-21-22-15(23)9-20-16(24)10-2-1-3-13(19)6-10/h1-8H,9H2,(H,20,24)(H,22,23) |
| InChIK | RNCOLPAODAYZHP-UHFFFAOYSA-N |
| TotalMolweight | 368.194 |
| Molweight | 368.194 |
| MonoisotopicMass | 367.029059 |
| CLogP | 3.5981 |
| CLogS | -5.274 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.15 |
| Relative PSA | 0.2265 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide | 2 - N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
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